TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-19 20:42:50 +01:00
Code Issues Projects Releases Wiki Activity

[WIP] Add tests

Browse Source
This commit is contained in:
q-posev 2022-05-02 16:46:34 +02:00
parent c73a2aff3c
commit 3fa5f9a34b
3 changed files with 47415 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

BIN
python/test/data/Alz_small.h5 Normal file
View File

Binary file not shown.

47404
python/test/data/data.py Normal file
View File

File diff suppressed because it is too large Load Diff

11
python/test/test_api.py Normal file
View File

@ -0,0 +1,11 @@
import pyqmckl as pq
from data.data import coord
from os.path import join
ctx = pq.qmckl_context_create()
fname = join('data', 'Alz_small.h5')
rc = pq.qmckl_trexio_read(ctx, fname)
print(pq.qmckl_string_of_error(rc))